ethyl 1-oxidanylidene-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 1-oxidanylidene-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: ethyl 1-oxo-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate CAS Name: 1-oxo-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-oxo-2-(trifluoromethylsulfonyl)-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: 1-keto-2-triflyl-3,4-dihydroisoquinoline-3-carboxylic acid ethyl ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C(=O)N1S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2C(=O)N1S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO5S/c1-2-22-12(19)10-7-8-5-3-4-6-9(8)11(18)17(10)23(20,21)13(14,15)16/h3-6,10H,2,7H2,1H3